2-Chloro-4-(trifluoromethyl)pyridine

C₆H₃ClF₃NCAS 81565-18-6181.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃ClF₃N
Molar mass: 181.54 g/mol
Exact mass: 180.9906 Da
logP: 2.75Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor13% of notifiers
H302 Harmful if swallowed10.4% of notifiers
H312 Harmful in contact with skin10.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.7% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

81565-18-6

SMILES

FC(F)(F)c1ccnc(Cl)c1

InChIKey

GBNPVXZNWBWNEN-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Pyridine, 2-chloro-4-(trifluoromethyl)-

Work with 2-Chloro-4-(trifluoromethyl)pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Bis(trifluoromethyl)-2,2'-bipyridine142946-79-061 % similar 4-tert-Butyl-2-chloropyridine81167-60-460 % similar 2,6-Dichloro-4-(trifluoromethyl)pyridine39890-98-757 % similar 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-357 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-655 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-955 % similar 2-Hydroxy-4-(trifluoromethyl)pyridine50650-59-455 % similar 4-Chloro-7-(trifluoromethyl)quinoline346-55-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Trifluoromethyl-4-chloropyridine131748-14-6 2-Chloro-6-(trifluoromethyl)pyridine39890-95-4 2-Chloro-5-(trifluoromethyl)pyridine52334-81-3 2-Chloro-3-(trifluoromethyl)pyridine65753-47-1 3-Chloro-4-(trifluoromethyl)pyridine81565-19-7 3-Chloro-5-(trifluoromethyl)pyridine85148-26-1

Elsewhere

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